使GW

Weiwei Gao1, Zhao Tang2, Jijun Zhao3

  • 1Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116024, China.

PubMed
概括

我们开发了一种新方法,使用GW近似计算精确的电子结构计算. 这种方法显著降低了计算成本,使标准硬件上的大规模材料模拟成为可能.

相关概念视频

Linear Approximation in Frequency Domain01:26

Linear Approximation in Frequency Domain

Linear systems are characterized by two main properties: superposition and homogeneity. Superposition allows the response to multiple inputs to be the sum of the responses to each individual input. Homogeneity ensures that scaling an input by a scalar results in the response being scaled by the same scalar.
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
89
Fast Fourier Transform01:10

Fast Fourier Transform

The Fast Fourier Transform (FFT) is a computational algorithm designed to compute the Discrete Fourier Transform (DFT) efficiently. By breaking down the calculations into smaller, manageable sections, the FFT significantly reduces the computational complexity involved. Direct computation of an N-point DFT requires N2 complex multiplications, whereas the FFT algorithm needs only (N/2)log⁡2N multiplications, offering a much faster performance.
The computational efficiency of the FFT becomes...
317
Load-frequency control01:28

Load-frequency control

Load-frequency control (LFC) is vital for maintaining power system stability, ensuring that frequency and power flows remain within acceptable limits during load changes. Turbine-governor control eliminates rotor accelerations and decelerations following load changes. However, a steady-state frequency error persists when the change in the turbine-governor reference setting is zero. In an interconnected power system, each area agrees to export or import a scheduled amount of power through...
162
Linear Approximation in Time Domain01:21

Linear Approximation in Time Domain

Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
81
Numerical Calculations01:24

Numerical Calculations

In engineering applications, the representation of the numerical value is critical. Presenting or reporting the answer is one of the essential parts of engineering practices. Numerical calculations are performed using handheld calculators or computers since numerically accurate answers are always preferred.
The solution to a problem is obtained using different methods. While manually solving algebraic symbols is one of the most common methods, the graphical method is often preferred. Computers...
354
Determination of Expected Frequency01:08

Determination of Expected Frequency

Suppose one wants to test independence between the two variables of a contingency table. The values in the table constitute the observed frequencies of the dataset. But how does one determine the expected frequency of the dataset? One of the important assumptions is that the two variables are independent, which means the variables do not influence each other. For independent variables, the statistical probability of any event involving both variables is calculated by multiplying the individual...
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